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23504-03-2,MFCD05663778
Catalog No.:AA002NCI

23504-03-2 | 4-isopropylbenzene-1,3-diol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$7.00   $5.00
- +
1g
97%
in stock  
$13.00   $9.00
- +
5g
97%
in stock  
$27.00   $19.00
- +
25g
97%
in stock  
$133.00   $93.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002NCI
Chemical Name:
4-isopropylbenzene-1,3-diol
CAS Number:
23504-03-2
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
MDL Number:
MFCD05663778
SMILES:
Oc1ccc(c(c1)O)C(C)C
Properties
Properties
 
BP:
278.1°C at 760 mmHg  
Form:
Solid  
MP:
98 - 100°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
123  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
2.5  

Upstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2018,vol.28,#23-24,p.3658-3664

[2]Patent:US2009/76006,2009,A1,.Locationinpatent:Page/Pagecolumn32;41

[3]BioorganicandMedicinalChemistryLetters,2015,vol.25,#16,p.3129-3134

[4]EuropeanJournalofMedicinalChemistry,2014,vol.87,p.765-781

[5]Patent:CN103724269,2016,B,.Locationinpatent:Paragraph0388;0389;0399;0400;0401;0402

[6]Patent:CN105439972,2016,A,.Locationinpatent:Paragraph0094;0095;0104;0105;0106

[7]MolecularInformatics,2014,vol.33,#8,p.495-502

[8]JournalofMedicinalChemistry,2008,vol.51,#2,p.196-218

[9]Patent:WO2008/44029,2008,A1,.Locationinpatent:Page/Pagecolumn199-200

[10]Patent:WO2008/44041,2008,A1,.Locationinpatent:Page/Pagecolumn221-222

[11]Patent:WO2008/44045,2008,A1,.Locationinpatent:Page/Pagecolumn273-274

[12]Patent:WO2008/44054,2008,A2,.Locationinpatent:Page/Pagecolumn117-118

[13]Patent:WO2004/72051,2004,A1,.Locationinpatent:Page105

[14]Patent:US2010/152184,2010,A1,.Locationinpatent:Page/Pagecolumn70

[1]Patent:WO2012/26931,2012,A1,.Locationinpatent:Page/Pagecolumn25

[1]MolecularInformatics,2014,vol.33,#8,p.495-502

[2]EuropeanJournalofMedicinalChemistry,2014,vol.87,p.765-781

[3]BioorganicandMedicinalChemistryLetters,2015,vol.25,#16,p.3129-3134

[4]Patent:CN105439972,2016,A,

[5]Patent:CN103724269,2016,B,

[6]Patent:CN107556164,2018,A,

[7]BioorganicandMedicinalChemistryLetters,2018,vol.28,#23-24,p.3658-3664

[1]MolecularInformatics,2014,vol.33,#8,p.495-502

[2]EuropeanJournalofMedicinalChemistry,2014,vol.87,p.765-781

[3]BioorganicandMedicinalChemistryLetters,2015,vol.25,#16,p.3129-3134

[4]Patent:CN105439972,2016,A,

[5]Patent:CN103724269,2016,B,

[6]BioorganicandMedicinalChemistryLetters,2018,vol.28,#23-24,p.3658-3664

[1]Patent:WO2012/26931,2012,A1,

Downstream Synthesis Route

[1]JournaloftheChemicalSociety,1951,p.2019

[1]Patent:BE853558,1977,    Patent:DE2616479,1977,    Chem.Abstr.,1978,vol.88

[1]Patent:EP1857446,2007,A1.Locationinpatent:Page/Pagecolumn19

[1]Patent:WO2007/139968,2007,A2.Locationinpatent:Page/Pagecolumn115;165

23504-03-2   
dimethyl-carbamicacid3-benzyl-6-isopropyl-4-methyl-2-oxo-2<i>H</i>-chromen-7-ylester 

[1]BioorganicandMedicinalChemistryLetters,2004,vol.14,p.2411-2415

Literature
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SDS
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